A4W
Summary
| Name: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide |
| Formula: | C9 H9 Cl F N O S |
| Formal charge: | 0 |
| Formula weight: | 233.69 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13) |
| InChIKey | InChI | 1.03 | FJMFVECBBBBHPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1c(Cl)cccc1NC(=O)CCS |
| SMILES | CACTVS | 3.385 | Fc1c(Cl)cccc1NC(=O)CCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)F)NC(=O)CCS |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)F)NC(=O)CCS |
